[1-cyano-2-(4-nitrophenyl)ethyl] thiocyanate

Systemtic Name: [1-cyano-2-(4-nitrophenyl)ethyl] thiocyanate Openeye Name: [1-cyano-2-(4-nitrophenyl)ethyl] thiocyanate CAS Name: thiocyanic acid [1-cyano-2-(4-nitrophenyl)ethyl] ester IUPAC Name: [1-cyano-2-(4-nitrophenyl)ethyl] thiocyanate Traditional Name: thiocyanic acid [1-cyano-2-(4-nitrophenyl)ethyl] ester Formula: C10H7N3O2S MolecularWeight: 233.24648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C#N)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C#N)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O2S/c11-6-10(16-7-12)5-8-1-3-9(4-2-8)13(14)15/h1-4,10H,5H2